#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dja s SER 2 N 0.00 -0.59 -0.04 1.61 0.01 -1.26 -5.17 113.70 108.27 2dja s SER 2 Ca 0.00 0.25 0.04 0.00 1.31 0.00 0.00 55.95 57.56 2dja s SER 2 Cb 0.00 0.56 -0.00 0.00 0.21 0.00 0.00 66.02 66.79 2dja s SER 2 CO 0.00 -0.82 -0.17 -0.55 0.41 0.00 0.00 173.24 172.11 2dja s SER 3 N -2.18 2.13 -0.07 2.44 0.15 -1.26 -5.14 113.70 109.77 2dja s SER 3 Ca -0.03 -0.35 -0.15 0.00 0.70 0.00 0.00 55.95 56.13 2dja s SER 3 Cb -0.01 -0.55 0.03 0.00 -1.71 0.00 0.00 66.02 63.79 2dja s SER 3 CO -0.05 0.16 0.36 -0.83 1.20 0.00 0.00 173.24 174.08 2dja s GLY 4 N -0.01 -0.23 0.18 9.45 0.00 -1.26 -5.17 107.32 110.27 2dja s GLY 4 Ca -0.03 0.71 0.01 0.00 0.00 0.00 0.00 44.72 45.42 2dja s GLY 4 CO 0.02 0.52 0.02 -0.45 0.00 0.00 0.00 173.10 173.21 2dja s SER 5 N -0.64 1.07 -0.00 1.64 0.15 -1.26 -5.17 113.70 109.49 2dja s SER 5 Ca -0.07 -1.21 -0.30 0.00 0.70 0.00 0.00 55.95 55.07 2dja s SER 5 Cb -0.04 0.15 0.11 0.00 -1.71 0.00 0.00 66.02 64.54 2dja s SER 5 CO 0.03 -0.62 1.21 -0.94 1.20 0.00 0.00 173.24 174.12 2dja s SER 6 N -3.18 -0.09 0.00 5.45 1.04 -1.26 -5.17 113.70 110.49 2dja s SER 6 Ca 0.26 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.52 2dja s SER 6 Cb 0.06 0.23 0.00 0.00 0.10 0.00 0.00 66.02 66.41 2dja s SER 6 CO 0.05 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.47 2dja n GLY 7 N -0.44 1.65 3.60 7.32 0.00 -1.26 -4.95 105.19 111.11 2dja n GLY 7 Ca -0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2dja n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dja s VAL 8 N 3.20 0.00 -0.01 1.61 0.11 -1.26 -5.01 120.40 119.04 2dja s VAL 8 Ca 0.00 0.00 -0.00 0.00 -2.93 0.00 0.00 61.98 59.05 2dja s VAL 8 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 2dja s VAL 8 CO 0.00 0.00 0.05 -1.83 -3.33 0.00 0.00 175.10 169.99 2dja s GLU 9 N -0.74 2.98 0.15 1.54 -1.05 -1.26 -5.08 118.70 115.24 2dja s GLU 9 Ca 0.01 -0.51 -0.31 0.00 -0.15 0.00 0.00 54.97 54.01 2dja s GLU 9 Cb -0.02 -2.81 -0.08 0.00 -0.44 0.00 0.00 34.13 30.79 2dja s GLU 9 CO -0.02 0.65 1.33 -1.25 0.95 0.00 0.00 175.26 176.92 2dja s PRO 10 N -1.62 4.36 0.27 -4.83 0.04 -1.26 -4.95 135.00 127.01 2dja s PRO 10 Ca 0.21 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.00 2dja s PRO 10 Cb -0.12 -3.23 -0.14 0.00 0.04 0.00 0.00 34.50 31.05 2dja s PRO 10 CO 0.12 -0.33 1.07 1.55 0.04 0.00 0.00 177.00 179.45 2dja n VAL 11 N 3.27 1.76 -2.22 -0.36 3.14 -1.26 -4.89 118.33 117.77 2dja n VAL 11 Ca 0.09 -0.44 -0.42 0.00 -2.96 0.00 0.00 64.34 60.61 2dja n VAL 11 Cb 0.43 -1.03 -0.03 0.00 -1.06 0.00 0.00 33.84 32.15 2dja n VAL 11 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2dja s PRO 12 N -1.32 4.37 -0.57 1.45 0.04 -1.26 -4.89 135.00 132.82 2dja s PRO 12 Ca 0.61 2.04 -0.27 0.00 0.04 0.00 0.00 61.00 63.42 2dja s PRO 12 Cb -0.71 -3.22 -0.10 0.00 0.04 0.00 0.00 34.50 30.51 2dja s PRO 12 CO 0.58 -0.30 2.46 -0.40 0.04 0.00 0.00 177.00 179.38 2dja n ASP 13 N 3.04 1.96 -4.76 6.66 5.68 -1.26 -4.89 116.55 122.98 2dja n ASP 13 Ca 0.08 -0.33 -0.41 0.00 -0.50 0.00 0.00 54.79 53.62 2dja n ASP 13 Cb 0.43 -1.45 -0.01 0.00 -1.14 0.00 0.00 41.12 38.94 2dja n ASP 13 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2dja s THR 14 N 11.38 2.39 0.91 2.12 -1.32 -1.26 -5.01 115.64 124.85 2dja s THR 14 Ca 1.06 0.36 -0.14 0.00 -1.21 0.00 0.00 61.69 61.76 2dja s THR 14 Cb -0.40 -3.23 0.17 0.00 -1.51 0.00 0.00 72.50 67.53 2dja s THR 14 CO 0.31 0.07 1.26 -1.00 -2.21 0.00 0.00 174.62 173.06 2dja s HIS 15 N -0.65 1.79 -0.35 9.09 3.76 -1.26 -4.97 115.29 122.71 2dja s HIS 15 Ca 0.55 0.31 0.03 0.00 -0.15 0.00 0.00 55.06 55.80 2dja s HIS 15 Cb -0.44 -3.90 0.52 0.00 1.11 0.00 0.00 32.58 29.88 2dja s HIS 15 CO 0.53 -2.41 1.71 1.28 -0.85 0.00 0.00 174.74 174.99 2dja n LEU 16 N -3.59 5.87 -2.24 0.89 4.32 -1.26 -4.40 117.00 116.59 2dja n LEU 16 Ca 0.14 -3.11 -0.30 0.00 -0.02 0.00 0.00 56.01 52.72 2dja n LEU 16 Cb 0.60 -0.76 0.05 0.00 -1.62 0.00 0.00 43.42 41.68 2dja n LEU 16 CO 0.47 0.92 0.84 -1.14 -1.22 0.00 0.00 177.39 177.25 2dja n ARG 17 N -0.74 3.14 0.00 3.23 3.00 -1.26 -4.89 116.66 119.13 2dja n ARG 17 Ca 0.46 -3.76 0.00 0.00 -0.00 0.00 0.00 57.85 54.55 2dja n ARG 17 Cb 1.40 -2.28 0.00 0.00 0.00 0.00 0.00 32.46 31.58 2dja n ARG 17 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2dja n GLY 18 N -0.78 0.40 3.70 5.14 0.00 -1.26 -5.14 105.19 107.25 2dja n GLY 18 Ca 0.53 0.66 -0.41 0.00 0.00 0.00 0.00 46.02 46.80 2dja n GLY 18 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dja s ILE 19 N 0.00 4.91 0.37 -0.61 1.09 -1.26 -5.01 121.20 120.69 2dja s ILE 19 Ca 0.00 1.73 0.03 0.00 -1.10 0.00 0.00 60.65 61.32 2dja s ILE 19 Cb 0.00 -4.18 0.03 0.00 -1.06 0.00 0.00 42.46 37.26 2dja s ILE 19 CO 0.00 0.12 0.27 0.35 -0.10 0.00 0.00 174.94 175.58 2dja n THR 20 N 4.24 0.00 -3.12 2.92 -2.24 -1.26 -4.21 114.28 110.60 2dja n THR 20 Ca 0.04 -1.45 -0.35 0.00 -2.27 0.00 0.00 64.05 60.02 2dja n THR 20 Cb 0.50 -0.19 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 2dja n THR 20 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2dja h LEU 22 N 2.94 -0.40 -0.92 0.00 3.38 -1.91 -2.90 115.31 115.51 2dja h LEU 22 Ca -0.48 0.03 0.02 0.00 0.09 0.00 0.00 57.88 57.55 2dja h LEU 22 Cb 1.19 0.13 -0.05 0.00 0.09 0.00 0.00 40.66 42.02 2dja h LEU 22 CO 0.65 -0.18 0.60 0.44 0.09 0.00 0.00 178.44 180.05 2dja h ASP 23 N -0.26 1.02 -3.63 -0.43 3.32 -1.99 -3.37 116.42 111.08 2dja h ASP 23 Ca -0.01 -0.02 -0.69 0.00 0.02 0.00 0.00 57.03 56.33 2dja h ASP 23 Cb 0.23 -0.24 -0.31 0.00 0.22 0.00 0.00 39.33 39.23 2dja h ASP 23 CO -0.03 0.72 -0.60 -1.00 -1.72 0.00 0.00 179.24 176.60 2dja s HIS 24 N -6.11 3.35 -0.31 4.55 3.76 -1.11 -4.95 115.29 114.48 2dja s HIS 24 Ca -0.13 -1.84 0.02 0.00 -0.15 0.00 0.00 55.06 52.96 2dja s HIS 24 Cb 0.17 -2.56 0.17 0.00 1.11 0.00 0.00 32.58 31.48 2dja s HIS 24 CO 0.80 -0.83 1.10 -0.85 -0.85 0.00 0.00 174.74 174.11 2dja n GLU 25 N 4.71 1.48 0.00 1.40 0.00 -1.13 -1.15 120.64 125.94 2dja n GLU 25 Ca -0.10 -0.72 0.00 0.00 0.00 0.00 0.00 57.16 56.34 2dja n GLU 25 Cb 0.43 -1.39 0.00 0.00 0.00 0.00 0.00 31.44 30.48 2dja n GLU 25 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.13 177.40 2dja n ASN 26 N 0.12 1.82 -4.70 -1.84 0.23 -1.26 -4.88 115.26 104.74 2dja n ASN 26 Ca 0.12 0.00 -0.42 0.00 -0.53 0.00 0.00 54.58 53.75 2dja n ASN 26 Cb 0.69 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.36 2dja n ASN 26 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2dja s GLU 27 N -1.73 4.51 -0.60 -3.83 0.41 -1.24 -4.92 118.70 111.30 2dja s GLU 27 Ca 0.00 1.33 -0.26 0.00 -0.41 0.00 0.00 54.97 55.63 2dja s GLU 27 Cb 0.00 -3.48 0.04 0.00 -1.78 0.00 0.00 34.13 28.91 2dja s GLU 27 CO 0.00 -0.10 1.11 0.15 -0.49 0.00 0.00 175.26 175.93 2dja s LYS 28 N 1.23 3.39 -0.37 1.61 -0.14 -1.26 -1.28 119.74 122.92 2dja s LYS 28 Ca 0.49 -0.05 -0.32 0.00 -1.36 0.00 0.00 55.97 54.73 2dja s LYS 28 Cb -0.20 -4.06 -0.14 0.00 -1.68 0.00 0.00 37.83 31.75 2dja s LYS 28 CO 0.24 -1.69 1.53 1.33 -0.76 0.00 0.00 175.35 176.00 2dja n VAL 29 N 6.43 0.00 -0.02 3.17 0.24 -1.26 -4.77 118.33 122.12 2dja n VAL 29 Ca 0.05 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.37 2dja n VAL 29 Cb 0.48 -0.37 0.04 0.00 -1.47 0.00 0.00 33.84 32.53 2dja n VAL 29 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 2dja n ASN 30 N 5.23 2.12 -4.17 -1.34 6.94 -1.17 -4.92 115.26 117.95 2dja n ASN 30 Ca 0.38 -1.85 -0.15 0.00 -0.02 0.00 0.00 54.58 52.94 2dja n ASN 30 Cb -0.03 -0.06 -0.10 0.00 -2.36 0.00 0.00 39.78 37.23 2dja n ASN 30 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 2dja s MET 31 N -0.88 1.35 -0.10 -3.83 -1.94 -0.36 -3.73 119.30 109.81 2dja s MET 31 Ca 0.07 -1.73 -0.04 0.00 -1.71 0.00 0.00 55.69 52.28 2dja s MET 31 Cb 0.04 0.05 0.05 0.00 2.01 0.00 0.00 34.83 36.98 2dja s MET 31 CO 0.05 -0.38 0.20 -0.47 -0.01 0.00 0.00 175.02 174.41 2dja s TYR 32 N -3.92 -0.26 0.15 -0.03 5.04 -1.26 -1.16 117.35 115.90 2dja s TYR 32 Ca 0.38 0.71 -0.30 0.00 -2.44 0.00 0.00 57.07 55.42 2dja s TYR 32 Cb 0.07 -0.12 -0.07 0.00 0.35 0.00 0.00 41.96 42.19 2dja s TYR 32 CO 0.14 -0.27 0.96 0.00 -1.34 0.00 0.00 175.55 175.05 2dja h VAL 34 N 3.78 0.52 -0.53 0.00 2.07 -1.75 -1.44 116.25 118.91 2dja h VAL 34 Ca -0.43 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 65.66 2dja h VAL 34 Cb 1.21 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 2dja h VAL 34 CO 0.71 0.18 0.23 -1.28 0.02 0.00 0.00 177.57 177.42 2dja h SER 35 N -1.00 0.28 0.76 0.57 0.87 -1.95 -0.76 113.55 112.33 2dja h SER 35 Ca -0.07 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2dja h SER 35 Cb 0.61 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 2dja h SER 35 CO -0.04 0.19 -0.27 0.47 -0.53 0.00 0.00 176.83 176.65 2dja n ASP 36 N -4.95 0.29 -4.08 6.23 8.00 -1.26 -4.95 116.55 115.84 2dja n ASP 36 Ca 0.06 0.12 -0.33 0.00 0.71 0.00 0.00 54.79 55.35 2dja n ASP 36 Cb 0.19 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 2dja n ASP 36 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2dja n ASP 37 N -1.54 -1.41 -3.72 -2.24 -0.08 -0.29 -4.95 116.55 102.31 2dja n ASP 37 Ca 0.06 -1.17 -0.12 0.00 -1.51 0.00 0.00 54.79 52.05 2dja n ASP 37 Cb 0.34 -2.26 -0.11 0.00 2.34 0.00 0.00 41.12 41.44 2dja n ASP 37 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 2dja s GLN 38 N -6.98 0.39 0.24 -0.67 2.00 -0.97 -4.97 119.66 108.69 2dja s GLN 38 Ca 0.18 0.62 -0.31 0.00 -2.00 0.00 0.00 55.36 53.85 2dja s GLN 38 Cb -0.09 0.07 -0.12 0.00 0.80 0.00 0.00 33.01 33.68 2dja s GLN 38 CO 0.94 -0.11 1.68 -0.51 -0.50 0.00 0.00 175.29 176.79 2dja s LEU 39 N 0.81 4.36 0.22 3.68 1.43 -1.26 -1.64 118.68 126.27 2dja s LEU 39 Ca -0.05 2.91 0.02 0.00 -1.03 0.00 0.00 54.13 55.98 2dja s LEU 39 Cb -0.06 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 2dja s LEU 39 CO -0.06 -0.96 0.04 0.27 0.23 0.00 0.00 176.35 175.87 2dja s ILE 40 N 0.72 0.73 0.30 -0.59 -4.36 -0.31 -4.88 121.20 112.82 2dja s ILE 40 Ca 0.70 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.13 2dja s ILE 40 Cb -0.49 -2.38 0.03 0.00 1.25 0.00 0.00 42.46 40.87 2dja s ILE 40 CO 0.38 -0.25 0.28 0.00 0.24 0.00 0.00 174.94 175.59 2dja h ALA 42 N 0.60 0.22 -0.01 0.00 0.00 -1.94 -2.56 119.26 115.56 2dja h ALA 42 Ca -0.18 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2dja h ALA 42 Cb 0.69 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2dja h ALA 42 CO 0.27 -0.14 0.01 -0.07 0.00 0.00 0.00 179.25 179.32 2dja h LEU 43 N 0.08 0.00 -0.54 0.00 3.38 -1.98 0.44 115.31 116.69 2dja h LEU 43 Ca 0.05 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.86 2dja h LEU 43 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2dja h LEU 43 CO 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 178.44 177.90 2dja n LYS 45 N -3.88 0.62 0.14 0.00 3.00 -0.41 -2.35 118.16 115.28 2dja n LYS 45 Ca -0.03 0.26 -0.06 0.00 -0.00 0.00 0.00 58.31 58.48 2dja n LYS 45 Cb 0.64 -1.81 -0.03 0.00 0.00 0.00 0.00 35.03 33.84 2dja n LYS 45 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 2dja h LEU 46 N 0.00 -0.32 0.00 3.14 4.07 -0.19 -3.37 115.31 118.64 2dja h LEU 46 Ca -0.21 0.01 -0.01 0.00 0.08 0.00 0.00 57.88 57.75 2dja h LEU 46 Cb 1.76 0.08 -0.00 0.00 1.08 0.00 0.00 40.66 43.58 2dja h LEU 46 CO 0.06 -0.14 -1.09 1.33 -1.08 0.00 0.00 178.44 177.52 2dja n VAL 47 N -3.47 0.02 -0.70 1.22 0.24 -0.98 -4.77 118.33 109.88 2dja n VAL 47 Ca -0.05 -0.05 -0.25 0.00 -2.04 0.00 0.00 64.34 61.95 2dja n VAL 47 Cb 0.15 0.22 0.11 0.00 -1.47 0.00 0.00 33.84 32.85 2dja n VAL 47 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2dja n GLY 48 N 2.48 -2.45 0.18 7.63 0.00 0.17 -4.66 105.19 108.53 2dja n GLY 48 Ca -0.01 -0.56 0.10 0.00 0.00 0.00 0.00 46.02 45.55 2dja n GLY 48 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2dja h ARG 49 N -2.04 0.00 -1.59 1.61 3.08 -1.90 -2.16 114.38 111.37 2dja h ARG 49 Ca -0.34 0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.19 2dja h ARG 49 Cb 1.01 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.86 2dja h ARG 49 CO 0.22 0.00 0.61 0.72 -1.07 0.00 0.00 179.97 180.45 2dja n HIS 50 N -2.24 2.16 0.15 3.04 8.25 -1.07 -4.64 115.22 120.87 2dja n HIS 50 Ca -0.01 -2.27 -0.14 0.00 -0.26 0.00 0.00 57.72 55.05 2dja n HIS 50 Cb 0.14 -1.23 -0.07 0.00 1.12 0.00 0.00 29.99 29.96 2dja n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dja h ARG 51 N 2.22 -0.37 -1.74 -0.41 3.08 -1.55 -3.25 114.38 112.37 2dja h ARG 51 Ca 0.43 0.03 -0.60 0.00 0.07 0.00 0.00 59.98 59.91 2dja h ARG 51 Cb 0.71 0.08 -0.42 0.00 0.08 0.00 0.00 29.97 30.43 2dja h ARG 51 CO 1.09 -0.25 -0.65 -0.25 -1.07 0.00 0.00 179.97 178.84 2dja n ASP 52 N -5.29 4.74 -4.98 7.04 8.00 -1.26 -4.89 116.55 119.92 2dja n ASP 52 Ca -0.08 -3.71 -0.19 0.00 0.71 0.00 0.00 54.79 51.51 2dja n ASP 52 Cb 0.20 -0.51 0.01 0.00 -0.02 0.00 0.00 41.12 40.80 2dja n ASP 52 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 2dja s HIS 53 N -3.54 2.48 -0.57 1.24 3.76 -1.23 -5.08 115.29 112.35 2dja s HIS 53 Ca 0.48 -0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 54.78 2dja s HIS 53 Cb 0.37 -2.27 0.14 0.00 1.11 0.00 0.00 32.58 31.93 2dja s HIS 53 CO -0.18 -0.48 0.46 -1.14 -0.85 0.00 0.00 174.74 172.55 2dja s GLN 54 N -4.35 2.79 0.13 1.40 0.74 -1.26 -5.06 119.66 114.05 2dja s GLN 54 Ca 0.53 -1.97 0.04 0.00 0.05 0.00 0.00 55.36 54.02 2dja s GLN 54 Cb -0.07 -4.07 -0.04 0.00 1.10 0.00 0.00 33.01 29.93 2dja s GLN 54 CO 0.32 -1.24 0.10 0.14 -0.55 0.00 0.00 175.29 174.06 2dja s VAL 55 N 1.03 4.41 -0.61 1.34 -7.23 -1.26 -2.12 120.40 115.95 2dja s VAL 55 Ca 0.09 -0.99 -0.05 0.00 -1.81 0.00 0.00 61.98 59.21 2dja s VAL 55 Cb -0.23 -3.19 0.16 0.00 0.56 0.00 0.00 36.38 33.67 2dja s VAL 55 CO -0.02 -0.01 0.45 0.00 -0.31 0.00 0.00 175.10 175.22 2dja s ALA 56 N -1.59 3.59 0.41 1.32 0.00 -0.76 -4.97 121.76 119.76 2dja s ALA 56 Ca 0.30 -3.09 -0.20 0.00 0.00 0.00 0.00 51.96 48.96 2dja s ALA 56 Cb -0.11 -2.79 -0.15 0.00 0.00 0.00 0.00 23.12 20.07 2dja s ALA 56 CO 0.22 -2.07 0.06 -1.13 0.00 0.00 0.00 175.76 172.84 2dja n SER 57 N 3.88 -2.91 -0.07 0.00 3.41 -1.26 -4.23 113.62 112.44 2dja n SER 57 Ca 0.05 0.77 -0.07 0.00 -0.26 0.00 0.00 58.87 59.36 2dja n SER 57 Cb 0.40 -0.86 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 2dja n SER 57 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2dja n LEU 58 N 2.30 1.61 -4.58 1.04 4.77 -1.24 -4.88 117.00 116.01 2dja n LEU 58 Ca 0.11 0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.98 2dja n LEU 58 Cb 0.40 -0.71 -0.03 0.00 -2.33 0.00 0.00 43.42 40.75 2dja n LEU 58 CO 0.53 -0.32 1.90 0.54 -1.33 0.00 0.00 177.39 178.70 2dja s ASN 59 N -5.57 5.12 0.09 -1.43 4.22 -1.26 -4.87 114.94 111.23 2dja s ASN 59 Ca -0.23 1.58 -0.29 0.00 -2.14 0.00 0.00 52.86 51.78 2dja s ASN 59 Cb 0.03 -2.51 -0.12 0.00 1.28 0.00 0.00 41.25 39.93 2dja s ASN 59 CO 0.34 -2.27 1.46 0.44 -2.04 0.00 0.00 177.10 175.03 2dja h ASP 60 N 16.53 -1.32 -3.03 3.54 3.32 -2.01 -3.37 116.42 130.08 2dja h ASP 60 Ca -0.35 0.14 -0.56 0.00 0.02 0.00 0.00 57.03 56.28 2dja h ASP 60 Cb 1.24 0.48 -0.05 0.00 0.22 0.00 0.00 39.33 41.23 2dja h ASP 60 CO 1.03 -0.47 1.11 -0.60 -1.72 0.00 0.00 179.24 178.60 2dja s ARG 61 N -5.28 3.42 -0.26 3.56 3.52 -1.26 -4.93 118.95 117.72 2dja s ARG 61 Ca -0.14 0.83 -0.41 0.00 -0.13 0.00 0.00 55.73 55.89 2dja s ARG 61 Cb 0.05 -4.09 -0.16 0.00 -1.56 0.00 0.00 34.95 29.19 2dja s ARG 61 CO 0.50 -1.76 1.68 1.19 -0.81 0.00 0.00 175.30 176.10 2dja n PHE 62 N 9.39 1.95 -0.08 5.12 3.72 -1.26 -4.88 117.46 131.42 2dja n PHE 62 Ca 0.16 0.62 -0.07 0.00 -0.05 0.00 0.00 57.45 58.11 2dja n PHE 62 Cb 0.48 -2.42 -0.03 0.00 -0.94 0.00 0.00 39.48 36.58 2dja n PHE 62 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 176.76 174.80 2dja n GLU 63 N 4.92 0.47 -2.66 -1.08 4.07 -1.26 -4.70 120.64 120.40 2dja n GLU 63 Ca 0.26 0.47 -0.42 0.00 -0.06 0.00 0.00 57.16 57.41 2dja n GLU 63 Cb 0.11 -1.65 -0.02 0.00 -0.06 0.00 0.00 31.44 29.82 2dja n GLU 63 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2dja s LYS 64 N -2.37 3.72 0.00 5.31 1.02 -1.26 -4.83 119.74 121.33 2dja s LYS 64 Ca -0.18 -1.54 0.00 0.00 0.02 0.00 0.00 55.97 54.26 2dja s LYS 64 Cb 0.03 -5.30 0.00 0.00 -0.52 0.00 0.00 37.83 32.04 2dja s LYS 64 CO 0.28 -2.11 0.00 1.28 -0.92 0.00 0.00 175.35 173.88 2dja n LEU 65 N 8.12 1.56 -4.72 3.17 7.99 -1.26 -4.92 117.00 126.94 2dja n LEU 65 Ca 0.35 0.23 -0.33 0.00 -0.01 0.00 0.00 56.01 56.25 2dja n LEU 65 Cb 0.49 -0.23 0.10 0.00 -0.11 0.00 0.00 43.42 43.67 2dja n LEU 65 CO 0.65 -0.23 0.77 -0.54 -1.51 0.00 0.00 177.39 176.53 2dja s LYS 66 N -0.47 2.02 -0.13 3.23 1.02 -1.26 -5.05 119.74 119.11 2dja s LYS 66 Ca 0.00 1.65 -0.06 0.00 0.02 0.00 0.00 55.97 57.58 2dja s LYS 66 Cb 0.00 -1.83 0.06 0.00 -0.52 0.00 0.00 37.83 35.54 2dja s LYS 66 CO 0.00 -1.90 0.30 -0.65 -0.92 0.00 0.00 175.35 172.18 2dja s GLN 67 N -4.12 0.24 0.35 1.68 -0.21 -1.26 -5.16 119.66 111.17 2dja s GLN 67 Ca 0.71 0.69 0.05 0.00 0.02 0.00 0.00 55.36 56.84 2dja s GLN 67 Cb -0.26 -0.03 -0.03 0.00 1.00 0.00 0.00 33.01 33.68 2dja s GLN 67 CO 0.48 -0.21 0.21 0.95 -2.12 0.00 0.00 175.29 174.60 2dja s THR 68 N 1.75 0.21 -0.17 -0.19 -4.23 -1.26 -5.15 115.64 106.61 2dja s THR 68 Ca -0.06 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.34 2dja s THR 68 Cb -0.11 -2.45 -0.05 0.00 1.34 0.00 0.00 72.50 71.24 2dja s THR 68 CO -0.10 0.00 0.20 -0.76 -0.54 0.00 0.00 174.62 173.42 2dja s LEU 69 N -3.44 4.26 -0.00 4.79 1.02 -1.26 -5.08 118.68 118.97 2dja s LEU 69 Ca 0.35 0.39 -0.16 0.00 0.02 0.00 0.00 54.13 54.73 2dja s LEU 69 Cb 0.03 -2.21 -0.06 0.00 0.02 0.00 0.00 46.19 43.97 2dja s LEU 69 CO 0.22 0.19 0.43 -0.70 0.02 0.00 0.00 176.35 176.51 2dja s GLU 70 N 0.14 3.99 0.10 1.70 2.12 -1.26 -5.02 118.70 120.47 2dja s GLU 70 Ca 0.13 0.46 -0.32 0.00 0.36 0.00 0.00 54.97 55.59 2dja s GLU 70 Cb -0.12 -3.24 -0.11 0.00 0.26 0.00 0.00 34.13 30.91 2dja s GLU 70 CO 0.02 0.64 1.80 -0.12 -0.54 0.00 0.00 175.26 177.06 2dja n MET 71 N 1.97 2.61 -2.72 4.30 0.00 -1.26 -4.96 117.12 117.06 2dja n MET 71 Ca -0.13 0.95 -0.34 0.00 -0.00 0.00 0.00 57.70 58.18 2dja n MET 71 Cb 0.52 -2.82 -0.06 0.00 0.00 0.00 0.00 33.22 30.87 2dja n MET 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2dja s ASN 72 N 2.63 6.75 -0.07 6.12 4.22 -1.26 -5.06 114.94 128.28 2dja s ASN 72 Ca 0.83 1.79 -0.01 0.00 -2.14 0.00 0.00 52.86 53.32 2dja s ASN 72 Cb -0.54 -2.55 -0.03 0.00 1.28 0.00 0.00 41.25 39.40 2dja s ASN 72 CO 0.39 -0.49 0.00 -0.76 -2.04 0.00 0.00 177.10 174.20 2dja s LEU 73 N -3.22 3.57 -0.24 3.54 2.01 -1.26 -5.10 118.68 117.98 2dja s LEU 73 Ca 0.63 0.11 0.02 0.00 0.01 0.00 0.00 54.13 54.90 2dja s LEU 73 Cb -0.12 -1.87 0.04 0.00 0.01 0.00 0.00 46.19 44.25 2dja s LEU 73 CO 0.16 0.36 -0.13 -0.89 1.01 0.00 0.00 176.35 176.86 2dja s THR 74 N -0.93 2.24 0.46 5.49 2.01 -1.26 -5.11 115.64 118.53 2dja s THR 74 Ca 0.15 -1.35 0.03 0.00 0.31 0.00 0.00 61.69 60.83 2dja s THR 74 Cb -0.11 -2.18 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 2dja s THR 74 CO 0.04 0.17 0.06 0.20 -0.69 0.00 0.00 174.62 174.40 2dja s ASN 75 N 1.19 3.50 0.42 3.53 -0.87 -1.26 -5.17 114.94 116.27 2dja s ASN 75 Ca -0.03 -1.64 0.05 0.00 -1.57 0.00 0.00 52.86 49.67 2dja s ASN 75 Cb -0.17 0.44 -0.06 0.00 -0.02 0.00 0.00 41.25 41.44 2dja s ASN 75 CO -0.07 -0.85 0.03 -0.76 -2.57 0.00 0.00 177.10 172.87 2dja s LEU 76 N -3.74 2.51 -0.29 0.60 1.02 -1.26 -5.16 118.68 112.35 2dja s LEU 76 Ca 0.16 -1.47 -0.18 0.00 0.02 0.00 0.00 54.13 52.66 2dja s LEU 76 Cb 0.03 -0.67 0.18 0.00 0.02 0.00 0.00 46.19 45.74 2dja s LEU 76 CO 0.09 -0.62 1.16 0.54 0.02 0.00 0.00 176.35 177.53 2dja s VAL 77 N -2.92 0.00 -0.30 -1.59 0.11 -1.26 -4.98 120.40 109.46 2dja s VAL 77 Ca 0.27 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.19 2dja s VAL 77 Cb 0.07 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.07 2dja s VAL 77 CO 0.14 0.00 0.87 -0.75 -3.33 0.00 0.00 175.10 172.02 2dja s LYS 78 N 0.94 0.40 0.46 1.54 2.36 -1.26 -5.16 119.74 119.03 2dja s LYS 78 Ca -0.05 0.98 -0.24 0.00 -2.55 0.00 0.00 55.97 54.11 2dja s LYS 78 Cb -0.03 0.57 -0.07 0.00 -1.05 0.00 0.00 37.83 37.24 2dja s LYS 78 CO -0.12 -0.13 1.25 0.45 1.55 0.00 0.00 175.35 178.34 2dja s SER 79 N 2.54 6.01 0.00 1.43 0.15 -1.26 -5.03 113.70 117.54 2dja s SER 79 Ca -0.04 2.51 0.00 0.00 0.70 0.00 0.00 55.95 59.12 2dja s SER 79 Cb -0.08 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dja s SER 79 CO -0.18 -1.04 0.00 0.61 1.20 0.00 0.00 173.24 173.83 2dja n GLY 80 N 0.59 6.59 3.66 9.45 0.00 -1.26 -5.15 105.19 119.06 2dja n GLY 80 Ca 0.07 -1.76 -0.29 0.00 0.00 0.00 0.00 46.02 44.04 2dja n GLY 80 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dja s PRO 81 N 1.15 0.09 -0.02 1.61 0.04 -1.26 -5.08 135.00 131.53 2dja s PRO 81 Ca 0.00 0.40 -0.30 0.00 0.04 0.00 0.00 61.00 61.14 2dja s PRO 81 Cb 0.00 -1.71 0.11 0.00 0.04 0.00 0.00 34.50 32.94 2dja s PRO 81 CO 0.00 -2.93 1.09 0.45 0.04 0.00 0.00 177.00 175.65 2dja s SER 82 N -3.52 -0.18 0.35 6.66 0.15 -1.26 -5.19 113.70 110.71 2dja s SER 82 Ca 0.66 -0.13 0.02 0.00 0.70 0.00 0.00 55.95 57.20 2dja s SER 82 Cb -0.17 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.42 2dja s SER 82 CO 0.57 -0.51 0.41 -0.55 1.20 0.00 0.00 173.24 174.37 2dja s SER 83 N -2.65 1.36 0.00 5.45 0.15 -1.26 -5.37 113.70 111.38 2dja s SER 83 Ca 0.10 -1.65 0.00 0.00 0.70 0.00 0.00 55.95 55.11 2dja s SER 83 Cb 0.00 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.96 2dja s SER 83 CO -0.04 -1.24 0.00 0.61 1.20 0.00 0.00 173.24 173.77